2-[3-[5-butan-2-yl-4-(3,5-diethylphenyl)-3-propylpyrazol-1-yl]phenoxy]-9-(4-methoxy-2-pyridinyl)carbazole

C44H46N4O2 — CID 153415560

IUPAC2-[3-[5-butan-2-yl-4-(3,5-diethylphenyl)-3-propylpyrazol-1-yl]phenoxy]-9-(4-methoxy-2-pyridinyl)carbazole
SMILESCCCc1nn(-c2cccc(Oc3ccc4c5ccccc5n(-c5cc(OC)ccn5)c4c3)c2)c(C(C)CC)c1-c1cc(CC)cc(CC)c1
InChIInChI=1S/C44H46N4O2/c1-7-14-39-43(32-24-30(9-3)23-31(10-4)25-32)44(29(5)8-2)48(46-39)33-15-13-16-35(26-33)50-36-19-20-38-37-17-11-12-18-40(37)47(41(38)27-36)42-28-34(49-6)21-22-45-42/h11-13,15-29H,7-10,14H2,1-6H3
InChIKeyOYRLWVGRBAQOGM-UHFFFAOYSA-N
MW662.88 g/mol
LogP11.42
Rot. Bonds12

About 2-[3-[5-butan-2-yl-4-(3,5-diethylphenyl)-3-propylpyrazol-1-yl]phenoxy]-9-(4-methoxy-2-pyridinyl)carbazole

2-[3-[5-butan-2-yl-4-(3,5-diethylphenyl)-3-propylpyrazol-1-yl]phenoxy]-9-(4-methoxy-2-pyridinyl)carbazole (PubChem CID 153415560) has the molecular formula C44H46N4O2 and a molecular weight of 662.88 g/mol. Its IUPAC name is 2-[3-[5-butan-2-yl-4-(3,5-diethylphenyl)-3-propylpyrazol-1-yl]phenoxy]-9-(4-methoxy-2-pyridinyl)carbazole.

Molecular Properties

Compound Name2-[3-[5-butan-2-yl-4-(3,5-diethylphenyl)-3-propylpyrazol-1-yl]phenoxy]-9-(4-methoxy-2-pyridinyl)carbazole
PubChem CID153415560
Molecular FormulaC44H46N4O2
Molecular Weight662.88 g/mol
Exact Mass662.36
IUPAC Name2-[3-[5-butan-2-yl-4-(3,5-diethylphenyl)-3-propylpyrazol-1-yl]phenoxy]-9-(4-methoxy-2-pyridinyl)carbazole
SMILESCCCc1nn(-c2cccc(Oc3ccc4c5ccccc5n(-c5cc(OC)ccn5)c4c3)c2)c(C(C)CC)c1-c1cc(CC)cc(CC)c1
InChIInChI=1S/C44H46N4O2/c1-7-14-39-43(32-24-30(9-3)23-31(10-4)25-32)44(29(5)8-2)48(46-39)33-15-13-16-35(26-33)50-36-19-20-38-37-17-11-12-18-40(37)47(41(38)27-36)42-28-34(49-6)21-22-45-42/h11-13,15-29H,7-10,14H2,1-6H3
InChIKeyOYRLWVGRBAQOGM-UHFFFAOYSA-N
XLogP11.42
TPSA54.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.88
LogP ≤ 511.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(3,5-diethyl-4-phenylpyrazol-1-yl)phenoxy]-9-(4-methoxy-2-pyridinyl)carbazole
CID 153415508
2-[3-[4-(4-tert-butylphenyl)-5-(2-methylbutan-2-yl)-3-propan-2-ylpyrazol-1-yl]phenoxy]-9-(4-methoxy-2-pyridinyl)carbazole
CID 153415787
2-[3-[3,5-diethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propylphenoxy]-9-(4-methoxy-2-pyridinyl)carbazole
CID 153443095
2-[3-[3-ethyl-5-(2-methylbutan-2-yl)-4-(4-methylphenyl)pyrazol-1-yl]phenoxy]-9-(4-propan-2-yloxy-2-pyridinyl)carbazole
CID 153415409
2-[3-[5-(2,2-dimethylpropyl)-4-phenyl-3-propylpyrazol-1-yl]phenoxy]-9-(4-methyl-2-pyridinyl)carbazole
CID 153415384
2-[3-[4-(2,6-dibutyl-3,4,5-trimethylphenyl)pyrazol-1-yl]phenoxy]-9-(4-methoxy-2-pyridinyl)carbazole
CID 153414112
2-[3-[4-(2,6-dimethyl-4-phenylphenyl)-3,5-dimethylpyrazol-1-yl]phenoxy]-9-(4-methoxy-2-pyridinyl)carbazole
CID 153443608
6-butan-2-yl-9-(4-butyl-2-pyridinyl)-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenoxy]carbazole
CID 153442012
2-[3-[4-[3,5-dimethyl-2,6-bis(2-methylbutyl)phenyl]pyrazol-1-yl]phenoxy]-9-(4-methoxy-2-pyridinyl)carbazole
CID 153412804
2-[3-[3,5-dimethyl-4-(3,4,5-trimethylphenyl)pyrazol-1-yl]phenoxy]-9-(4-ethoxy-2-pyridinyl)carbazole
CID 153415656
9-(4-tert-butyl-2-pyridinyl)-6-phenyl-2-[3-(4-phenyl-3,5-dipropylpyrazol-1-yl)phenoxy]carbazole
CID 153441296
2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenoxy]-9-(4-methoxy-2-pyridinyl)-6-(6-methylheptan-2-yl)carbazole
CID 153440801

Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-butan-2-yl-4-(3,5-diethylphenyl)-3-propylpyrazol-1-yl]phenoxy]-9-(4-methoxy-2-pyridinyl)carbazole?
The IUPAC name of 2-[3-[5-butan-2-yl-4-(3,5-diethylphenyl)-3-propylpyrazol-1-yl]phenoxy]-9-(4-methoxy-2-pyridinyl)carbazole (CID 153415560) is 2-[3-[5-butan-2-yl-4-(3,5-diethylphenyl)-3-propylpyrazol-1-yl]phenoxy]-9-(4-methoxy-2-pyridinyl)carbazole.
What is the SMILES notation for 2-[3-[5-butan-2-yl-4-(3,5-diethylphenyl)-3-propylpyrazol-1-yl]phenoxy]-9-(4-methoxy-2-pyridinyl)carbazole?
The canonical SMILES for 2-[3-[5-butan-2-yl-4-(3,5-diethylphenyl)-3-propylpyrazol-1-yl]phenoxy]-9-(4-methoxy-2-pyridinyl)carbazole is CCCc1nn(-c2cccc(Oc3ccc4c5ccccc5n(-c5cc(OC)ccn5)c4c3)c2)c(C(C)CC)c1-c1cc(CC)cc(CC)c1.
What is the InChIKey of 2-[3-[5-butan-2-yl-4-(3,5-diethylphenyl)-3-propylpyrazol-1-yl]phenoxy]-9-(4-methoxy-2-pyridinyl)carbazole?
The InChIKey is OYRLWVGRBAQOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H46N4O2/c1-7-14-39-43(32-24-30(9-3)23-31(10-4)25-32)44(29(5)8-2)48(46-39)33-15-13-16-35(26-33)50-36-19-20-38-37-17-11-12-18-40(37)47(41(38)27-36)42-28-34(49-6)21-22-45-42/h11-13,15-29H,7-10,14H2,1-6H3.
What are the key properties of 2-[3-[5-butan-2-yl-4-(3,5-diethylphenyl)-3-propylpyrazol-1-yl]phenoxy]-9-(4-methoxy-2-pyridinyl)carbazole?
2-[3-[5-butan-2-yl-4-(3,5-diethylphenyl)-3-propylpyrazol-1-yl]phenoxy]-9-(4-methoxy-2-pyridinyl)carbazole has a molecular weight of 662.88 g/mol, XLogP of 11.42, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5-butan-2-yl-4-(3,5-diethylphenyl)-3-propylpyrazol-1-yl]phenoxy]-9-(4-methoxy-2-pyridinyl)carbazole is sourced from PubChem (CID 153415560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).